4-[(3-fluoro-5-methylanilino)methyl]benzamide

C15H15FN2O — CID 79054394

IUPAC4-[(3-fluoro-5-methylanilino)methyl]benzamide
SMILESCc1cc(F)cc(NCc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C15H15FN2O/c1-10-6-13(16)8-14(7-10)18-9-11-2-4-12(5-3-11)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyOQOIROCJYLOJIU-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.85
Rot. Bonds4

About 4-[(3-fluoro-5-methylanilino)methyl]benzamide

4-[(3-fluoro-5-methylanilino)methyl]benzamide (PubChem CID 79054394) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-[(3-fluoro-5-methylanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-fluoro-5-methylanilino)methyl]benzamide
PubChem CID79054394
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-[(3-fluoro-5-methylanilino)methyl]benzamide
SMILESCc1cc(F)cc(NCc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C15H15FN2O/c1-10-6-13(16)8-14(7-10)18-9-11-2-4-12(5-3-11)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyOQOIROCJYLOJIU-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-methylanilino)methyl]benzamide
CID 28564307
[4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol
CID 110006750
3-[(3,5-difluoroanilino)methyl]benzamide
CID 28584265
2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol
CID 107685847
3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline
CID 79055605
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
4-[(2-bromo-5-fluoroanilino)methyl]benzamide
CID 103750683
4-[(3-fluoro-4-methoxyanilino)methyl]benzamide
CID 43380800
N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 81436065
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
4-[(3,4-dichloroanilino)methyl]benzamide
CID 28577960

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-5-methylanilino)methyl]benzamide?
The IUPAC name of 4-[(3-fluoro-5-methylanilino)methyl]benzamide (CID 79054394) is 4-[(3-fluoro-5-methylanilino)methyl]benzamide.
What is the SMILES notation for 4-[(3-fluoro-5-methylanilino)methyl]benzamide?
The canonical SMILES for 4-[(3-fluoro-5-methylanilino)methyl]benzamide is Cc1cc(F)cc(NCc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[(3-fluoro-5-methylanilino)methyl]benzamide?
The InChIKey is OQOIROCJYLOJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-6-13(16)8-14(7-10)18-9-11-2-4-12(5-3-11)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19).
What are the key properties of 4-[(3-fluoro-5-methylanilino)methyl]benzamide?
4-[(3-fluoro-5-methylanilino)methyl]benzamide has a molecular weight of 258.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-5-methylanilino)methyl]benzamide is sourced from PubChem (CID 79054394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).